DFrupa2-1DFrupa2-OH breaks gmml.
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bug
- Dominant language
- C++
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Description
Building DFrupa2-1DFrupa2-OH
Error thrown by the carbohydrateBuilder in gmml during construction was: Problem with the metadata found in gmml for this linkage. The number of identified rotatable dihedrals: 3 is greater than the number of metadata items: 2 found for this linkage:
ResidueLinkage Index: 0, Name: DFrupa2-1DFrupa, NumberOfShapes: 1, ids: 0CA_3_??https://github.com/c2 -- 1CA_2?_?https://github.com/o1 // Note github mangled the error message.
C1, C2, O1, C1: 41.6272.
C2, O1, C1, C2: 6.06625.
O1, C1, C2, O6: 61.9047.
Note that DFrupa2-3DFrupa2-OH works.
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